CID 3017080

2-n-acetamidomethylphosphonate

Structural Information

Molecular Formula
C3H8NO4P
SMILES
CC(=O)NCP(=O)(O)O
InChI
InChI=1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKey
FDNUAHPLMXZWLS-UHFFFAOYSA-N
Compound name
acetamidomethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

122
Patents

153.01909 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.02637 130.9
[M+Na]+ 176.00831 137.8
[M-H]- 152.01181 127.7
[M+NH4]+ 171.05291 150.8
[M+K]+ 191.98225 137.7
[M+H-H2O]+ 136.01635 124.6
[M+HCOO]- 198.01729 157.5
[M+CH3COO]- 212.03294 171.4
[M+Na-2H]- 173.99376 134.6
[M]+ 153.01854 131.0
[M]- 153.01964 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe